1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea

C26H27FN4O3 — CID 40951160

IUPAC1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
SMILESCC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CCc1ccccc1F
InChIInChI=1S/C26H27FN4O3/c1-26(2)23(31(34)24(32)28-20-12-5-3-6-13-20)30(21-14-7-4-8-15-21)25(33)29(26)18-17-19-11-9-10-16-22(19)27/h3-16,23,34H,17-18H2,1-2H3,(H,28,32)/t23-/m0/s1
InChIKeyCCIIFRMRASYILF-QHCPKHFHSA-N
MW462.53 g/mol
LogP5.34
Rot. Bonds6

About 1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea

1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea (PubChem CID 40951160) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea.

Molecular Properties

Compound Name1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
PubChem CID40951160
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
SMILESCC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CCc1ccccc1F
InChIInChI=1S/C26H27FN4O3/c1-26(2)23(31(34)24(32)28-20-12-5-3-6-13-20)30(21-14-7-4-8-15-21)25(33)29(26)18-17-19-11-9-10-16-22(19)27/h3-16,23,34H,17-18H2,1-2H3,(H,28,32)/t23-/m0/s1
InChIKeyCCIIFRMRASYILF-QHCPKHFHSA-N
XLogP5.34
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.53
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4S)-5,5-dimethyl-1-(3-methylbutyl)-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 1400769
1-[(4S)-1-(2-hydrazinyl-2-oxoethyl)-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 7340170
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 3730045
3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 40879399
methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate
CID 3316950
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3761126
ethyl 2-[(4S)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetate
CID 6990477
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 3720965
5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide
CID 98307424
2-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazolidine-3,5-dione
CID 99662138
2-[(4R)-3-[2-(2-fluorophenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 1025495
2-[(4S)-4-[hydroxy(naphthalen-1-ylcarbamoyl)amino]-5,5-dimethyl-3-naphthalen-1-yl-2-oxoimidazolidin-1-yl]acetate
CID 6983446

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea?
The IUPAC name of 1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea (CID 40951160) is 1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea.
What is the SMILES notation for 1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea?
The canonical SMILES for 1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea is CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CCc1ccccc1F.
What is the InChIKey of 1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea?
The InChIKey is CCIIFRMRASYILF-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-26(2)23(31(34)24(32)28-20-12-5-3-6-13-20)30(21-14-7-4-8-15-21)25(33)29(26)18-17-19-11-9-10-16-22(19)27/h3-16,23,34H,17-18H2,1-2H3,(H,28,32)/t23-/m0/s1.
What are the key properties of 1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea?
1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea has a molecular weight of 462.53 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-1-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea is sourced from PubChem (CID 40951160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).